element(s):
['Al', 'U']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8498']
model name:
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'U']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[7.8498, 0, 0], [0, 7.8498, 0], [0, 0, 7.8498]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:49     -104.507750         1.382708
BFGS:    1 17:12:49     -104.588557         1.344499
BFGS:    2 17:12:50     -104.782879         1.246031
BFGS:    3 17:12:51     -104.962240         1.145020
BFGS:    4 17:12:51     -105.126256         1.041429
BFGS:    5 17:12:52     -105.274537         0.935218
BFGS:    6 17:12:53     -105.406688         0.826348
BFGS:    7 17:12:53     -105.522307         0.714779
BFGS:    8 17:12:53     -105.620985         0.600472
BFGS:    9 17:12:53     -105.702309         0.483386
BFGS:   10 17:12:53     -105.765628         0.336575
BFGS:   11 17:12:53     -105.794815         0.079232
BFGS:   12 17:12:53     -105.797229         0.026838
BFGS:   13 17:12:53     -105.797582         0.003332
BFGS:   14 17:12:53     -105.797587         0.000159
BFGS:   15 17:12:53     -105.797587         0.000001
BFGS:   16 17:12:54     -105.797587         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.0188969508985725e-31 eV/Angstrom
Maximum stress component: 1.5271301790005197e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'U', 'U', 'U', 'U', 'U', 'U', 'U', 'U']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.41433288e-17 5.65733152e-17]
 [5.65733152e-17 1.41433288e-17 5.00000000e-01]
 [5.65733152e-17 5.00000000e-01 5.65733152e-17]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[7.671803681222741, 3.019391214709862e-33, 8.904854176076048e-34], [3.0643345414507923e-33, 7.671803681222741, 3.8242536472089615e-18], [-3.1467563057343195e-34, 3.824253647208959e-18, 7.671803681222741]])
forces =  [[ 4.72811406e-32  1.26083042e-31  3.15207604e-32]
 [ 3.15207604e-32 -1.10322661e-31 -8.66820911e-32]
 [-3.15207604e-32 -9.45622812e-32  9.45622812e-32]
 [-2.20645323e-31 -2.83686844e-31 -9.45622812e-32]
 [ 1.61818960e-64  4.01889695e-31 -3.15207604e-32]
 [ 1.33963232e-31 -1.57125218e-50 -3.15207604e-32]
 [-9.45622812e-32 -1.26083042e-31 -6.30415208e-32]
 [ 3.94009505e-32 -3.15207604e-32  3.15207604e-32]
 [-1.10322661e-31  6.30415208e-32 -9.45622812e-32]
 [ 9.45622812e-32 -7.85626092e-51 -1.57603802e-32]
 [ 2.52166083e-31  7.85626092e-50  1.57603802e-31]
 [-4.72811406e-32 -9.45622812e-32  1.26083042e-31]
 [ 6.30415208e-32 -3.15207604e-32  6.30415208e-32]
 [-3.15207604e-32  1.65483992e-31 -6.30415208e-32]
 [-8.66820911e-32 -3.92813046e-50 -7.88019010e-32]
 [ 4.72811406e-32  3.15207604e-32  6.30415208e-32]
 [-6.30415208e-32  1.57603802e-32  6.30415208e-32]
 [-7.88019010e-33 -5.51613307e-32 -2.74969132e-50]
 [ 7.88019010e-33 -1.26083042e-31 -7.88019010e-32]
 [ 6.30415208e-32  1.57603802e-31 -8.66820911e-32]
 [ 3.15207604e-32  1.22142947e-31  3.15207604e-32]
 [-6.30415208e-32 -1.47630436e-31  2.36405703e-32]
 [ 7.88019010e-32  1.41843422e-31  1.41843422e-31]
 [-1.23127970e-31 -3.15207604e-32  7.88019010e-32]]
stress =  [ 1.52713018e-11  1.52713018e-11  1.52713018e-11 -7.71774320e-28
 -6.70556130e-62  2.84529113e-61]
energy per atom =  -4.408232807874318
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0